SCHEMBL6131992

SCHEMBL6131992

CNC(=O)Oc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MAPT P10636 7/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
GALR3 O60755 1/20 0.49
POLB P06746 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6131904 0.86 ALDH1A1 (0.56) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6131995 0.86 MAPT (0.61) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6131846 0.85 SMN1; SMN2 (0.70) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6131860 0.85 SMN1; SMN2 (0.60) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6131959 0.83 PPARD (0.58) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6131915 0.83 ALDH1A1 (0.56) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6132030 0.83 PPARD (0.57) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6131785 0.82 ALDH1A1 (0.55) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL18177869 0.80 KDM4E (0.66) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6131943 0.79 KDM4E (0.63) KMT2AALDH1A1SMN1; SMN2KDM4EHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed